5-碘-2-糠酸 | 18614-11-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 5-碘-2-糠酸
• 英文名称: 5-iodofuran-2-carboxylic acid
• 英文别名: 5-iodo-2-furoic acid；5-iodo-furan-2-carboxylic acid；5-Jod-furan-2-carbonsaeure；5-Iod-2-furancarbonsaeure；5-Iodfuran-2-carbonsaeure；2-Iod-5-carboxy-furan
• CAS: 18614-11-4
• 化学式: C₅H₃IO₃
• mdl: MFCD02180668
• 分子量: 237.982
• InChiKey: UKRYIKCRRFOEOD-UHFFFAOYSA-N

物化性质

• 熔点：
  192 °C
• 沸点：
  326.4±27.0 °C(Predicted)
• 密度：
  2.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H319

SDS

Name:	5-Iodo-2-furoic acid 97% Material Safety Data Sheet
Synonym:	5-Iodofuran-2-carboxylic aci
CAS:	18614-11-4

Section 1 - Chemical Product MSDS Name:5-Iodo-2-furoic acid 97% Material Safety Data Sheet
Synonym:5-Iodofuran-2-carboxylic aci

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18614-11-4	5-Iodo-2-furoic acid	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 18614-11-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 195 - 196 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H3IO3
Molecular Weight: 238

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen iodide, iodine, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18614-11-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Iodo-2-furoic acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 18614-11-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18614-11-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18614-11-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-碘-2-糠酸 在 氯化亚砜 作用下， 反应 5.5h， 生成 5-iodofuroyl chloride
  参考文献：
  名称：

  Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes

  摘要：

  合成了46种不同取代基的噻唑衍生物（芳酰噻唑），并研究了它们在离子选择电极（ISEs）中的离子载体潜力。根据相应的重金属ISE参数，考虑了结构因素。作为离子载体，某些1-呋喃酰基-3-取代噻唑（系列2）在Pb(II)、Hg(II)和Cd(II) ISE中表现出最佳性能。系列2中的强内氢键使得配体只能通过CS基团进行相互作用。呋喃和苯环上的取代基导致在膜增塑剂中溶解度低。3-烷基取代的呋喃酰噻唑提高了溶解度，但随着链长的增加增强了氧化过程。在分析取代基对ISE选择性的影响时，考虑了新的X射线衍射（XRD）结构和理论DFT计算。这些新离子载体因其稳定性、简单合成和由于取代改变硫结合能力的易修改性而具有优势。

  DOI：

  10.1039/b102029n
• 作为产物：
  描述：

  bis-(5-formyl-[2]furyl)-mercury 在 1,4-二氧六环 、 sodium hydroxide 、 乙醇 、 双氧水 、 碘 、 mercury dichloride 作用下， 生成 5-碘-2-糠酸
  参考文献：
  名称：

  SOME REACTIONS OF 5-CHLOROMERCURI-2-FURFURYL ALCOHOL¹

  摘要：

  DOI：

  10.1021/jo01201a015

文献信息

• Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes
  作者：Elena Otazo-Sánchez、Leonel Pérez-Marín、Osvaldo Estévez-Hernández、Susana Rojas-Lima、Julián Alonso-Chamarro

  DOI：10.1039/b102029n

  日期：——

  Thiourea derivatives (46 aroylthioureas) having different substituents close to the sulfur atom were synthesized and their ionophore potential in ion selective electrodes (ISEs) was examined. Structural considerations were taken into account based on the corresponding heavy-metal ISE parameters. As ionophores, some 1-furoyl-3-substituted thioureas (series 2) gave the best results in Pb(II), Hg(II) and Cd(II) ISEs. The strong intramolecular hydrogen bond in series 2 allows ligand interaction only through the CS group. Substituents on the furan and phenyl rings give rise to low solubility in the membrane plasticizer. 3-Alkyl substituted furoylthioureas improve solubility but enhance oxidative processes with chain length. New X-ray diffraction (XRD) structures and theoretical DFT calculations were considered in the analysis of the substituent influence on the selectivity of ISEs. These new ionophores have advantages because of their stability, simple synthesis and easy modification of the sulfur binding ability resulting from substitution.

  合成了46种不同取代基的噻唑衍生物（芳酰噻唑），并研究了它们在离子选择电极（ISEs）中的离子载体潜力。根据相应的重金属ISE参数，考虑了结构因素。作为离子载体，某些1-呋喃酰基-3-取代噻唑（系列2）在Pb(II)、Hg(II)和Cd(II) ISE中表现出最佳性能。系列2中的强内氢键使得配体只能通过CS基团进行相互作用。呋喃和苯环上的取代基导致在膜增塑剂中溶解度低。3-烷基取代的呋喃酰噻唑提高了溶解度，但随着链长的增加增强了氧化过程。在分析取代基对ISE选择性的影响时，考虑了新的X射线衍射（XRD）结构和理论DFT计算。这些新离子载体因其稳定性、简单合成和由于取代改变硫结合能力的易修改性而具有优势。
• Radioiodinated ?1-adrenergic receptor ligands
  作者：Terence G. Hamill、H. Donald Burns、Raymond E. Gibson

  DOI：10.1002/jlcr.433

  日期：2001.1

  The synthesis and preliminary characterization of three radioiodinated α1-adrenergic receptor ligands [125I]5a–c are described. These tracers are analogs of L-760,478, 1b, itself an analog of prazosin, 1a. The highest affinity tracer, [125I]5a, has six fold higher affinity for the α1 receptor subtypes than prazosin. These ligands could be useful for autoradiographic studies of the α1 receptor subtypes. Copyright © 2001 John Wiley & Sons, Ltd.

  本文描述了三种放射性碘化α1-肾上腺素能受体配体[125I]5a-c的合成和初步表征。这些示踪剂是L-760,478,1b的类似物，而L-760,478,1b本身是哌唑嗪1a的类似物。最高亲和力的示踪剂[125I]5a对α1受体亚型的亲和力比哌唑嗪高六倍。这些配体可用于α1受体亚型的自动放射研究。版权所有 © 2001 John Wiley & Sons, Ltd.
• 一种2,5-呋喃二甲酸的合成工艺
  申请人：上海予君生物科技发展有限公司

  公开号：CN113979974A

  公开（公告）日：2022-01-28

  本发明公开了一种2,5‑呋喃二甲酸的合成工艺，以呋喃‑2‑甲酸和碘化钾催化剂，制备2‑碘‑5‑呋喃甲酸；再制得2‑碘‑5‑呋喃甲酸酯；并以Pd催化剂与三乙胺和乙醇制得2,5‑呋喃二甲酸酯；加碱并中和后得到产物2,5‑呋喃二甲酸。
• Kotschetkow; Nifant'ew, Vestnik Moskovskogo Universiteta, 1958, vol. 13, # 5, p. 119,121
  作者：Kotschetkow、Nifant'ew

  DOI：——

  日期：——
• Nasarowa, Zhurnal Obshchei Khimii, 1955, vol. 25, p. 539,541; engl. Ausg. S. 509, 511
  作者：Nasarowa

  DOI：——

  日期：——

表征谱图